[5-(N-ethyl-2-methylanilino)-1,3-dimethylpyrazol-4-yl]methanol

C15H21N3O — CID 43122128

IUPAC[5-(N-ethyl-2-methylanilino)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCCN(c1ccccc1C)c1c(CO)c(C)nn1C
InChIInChI=1S/C15H21N3O/c1-5-18(14-9-7-6-8-11(14)2)15-13(10-19)12(3)16-17(15)4/h6-9,19H,5,10H2,1-4H3
InChIKeySTJYUGCHESHMRI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.69
Rot. Bonds4

About [5-(N-ethyl-2-methylanilino)-1,3-dimethylpyrazol-4-yl]methanol

[5-(N-ethyl-2-methylanilino)-1,3-dimethylpyrazol-4-yl]methanol (PubChem CID 43122128) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [5-(N-ethyl-2-methylanilino)-1,3-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(N-ethyl-2-methylanilino)-1,3-dimethylpyrazol-4-yl]methanol
PubChem CID43122128
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[5-(N-ethyl-2-methylanilino)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCCN(c1ccccc1C)c1c(CO)c(C)nn1C
InChIInChI=1S/C15H21N3O/c1-5-18(14-9-7-6-8-11(14)2)15-13(10-19)12(3)16-17(15)4/h6-9,19H,5,10H2,1-4H3
InChIKeySTJYUGCHESHMRI-UHFFFAOYSA-N
XLogP2.69
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(diethylamino)-1,3-dimethylpyrazol-4-yl]methanol
CID 28963363
[4-(N-ethyl-2-methylanilino)-3-pyridinyl]methanol
CID 81238710
2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol
CID 60981461
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol
CID 104552650
[5-[ethyl(methyl)amino]-3-methyl-1-phenylpyrazol-4-yl]methanol
CID 43263588
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60961185
[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964058
N-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281054
[5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
CID 63696879
[1,3-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol
CID 60890248
[5-[(4-ethylcyclohexyl)-methylamino]-1,3-dimethylpyrazol-4-yl]methanol
CID 61449265
[1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol
CID 112661702

Frequently Asked Questions

What is the IUPAC name of [5-(N-ethyl-2-methylanilino)-1,3-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [5-(N-ethyl-2-methylanilino)-1,3-dimethylpyrazol-4-yl]methanol (CID 43122128) is [5-(N-ethyl-2-methylanilino)-1,3-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-(N-ethyl-2-methylanilino)-1,3-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [5-(N-ethyl-2-methylanilino)-1,3-dimethylpyrazol-4-yl]methanol is CCN(c1ccccc1C)c1c(CO)c(C)nn1C.
What is the InChIKey of [5-(N-ethyl-2-methylanilino)-1,3-dimethylpyrazol-4-yl]methanol?
The InChIKey is STJYUGCHESHMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-18(14-9-7-6-8-11(14)2)15-13(10-19)12(3)16-17(15)4/h6-9,19H,5,10H2,1-4H3.
What are the key properties of [5-(N-ethyl-2-methylanilino)-1,3-dimethylpyrazol-4-yl]methanol?
[5-(N-ethyl-2-methylanilino)-1,3-dimethylpyrazol-4-yl]methanol has a molecular weight of 259.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(N-ethyl-2-methylanilino)-1,3-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 43122128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).